CID 85767205

202333-57-1

Structural Information

Molecular Formula

C₉H₁₄O₃

SMILES

CCC(=O)C1(CC1)C(=O)OCC

InChI

InChI=1S/C9H14O3/c1-3-7(10)9(5-6-9)8(11)12-4-2/h3-6H2,1-2H3

InChIKey

DKOGVKDMSCKBLK-UHFFFAOYSA-N

Compound name

ethyl 1-propanoylcyclopropane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 170.0943 Da
Monoisotopic Mass: 1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	171.101576	138.4
[M+Na]+	193.083518	147.1
[M-H]-	169.087024	143.2
[M+NH4]+	188.128123	155.9
[M+K]+	209.057458	146.6
[M+H-H2O]+	153.091560	133.8
[M+HCOO]-	215.092501	160.3
[M+CH3COO]-	229.108151	182.7
[M+Na-2H]-	191.068966	143.2
[M]+	170.09375142	144.0
[M]-	170.09484858	144.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.